PEAK E

Base Information

• Chemical Name: PEAK E
• CAS No.: 132685-02-0
• Molecular Formula: C24H26 N4 O4
• Molecular Weight: 434.495
• Hs Code.: 2933997500
• Metabolomics Workbench ID: 46739
• Mol file: 132685-02-0.mol

Synonyms:1,1'-Ethylidenebis[L-tryptophan]

Chemical Property of PEAK E

Chemical Property:

• Vapor Pressure: 1.14E-21mmHg at 25°C
• Boiling Point: 718.5°Cat760mmHg
• PKA: 1.95±0.10(Predicted)
• Flash Point: 388.4°C
• PSA: 136.50000
• Density: 1.41g/cm³
• LogP: 3.97220
• Storage Temp.: 0-6°C
• Solubility.: Aqueous Base (Slightly)
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 434.19540532
• Heavy Atom Count: 32
• Complexity: 635

Purity/Quality:

99% ^*data from raw suppliers

1,1’-Ethylidenebis[L-tryptophan] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(N1C=C(C2=CC=CC=C21)CC(C(=O)O)N)N3C=C(C4=CC=CC=C43)CC(C(=O)O)N
• Uses: 1,1’-Ethylidenebis[L-tryptophan] is a L-tryptophan (T947210) contaminant found in the peripheral blood mononuclear cells from patients with functional somatic syndromes.

Technology Process of PEAK E

There total 2 articles about PEAK E which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 30.0%

acetaldehyde (75-07-0,9002-91-9) + L-Tryptophan (73-22-3,27732-43-0,80206-30-0,27813-82-7) → 1,1'-ethylidenebis (132685-02-0)

Guidance literature:

With hydrogenchloride; In water; for 0.333333h;

DOI:10.1016/S0040-4039(00)74469-8

Reference yield:

acetaldehyde (75-07-0,9002-91-9) + L-Tryptophan (73-22-3,27732-43-0,80206-30-0,27813-82-7) → 1,1'-ethylidenebis (132685-02-0) + (S)-2-Amino-3-[1-(1-hydroxy-ethyl)-1H-indol-3-yl]-propionic acid + (1S,3S)-1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (40678-46-4,827304-63-2) + (-)-(1S,3S)-1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (42438-72-2,827304-63-2)

Guidance literature:

In water; at 25 ℃; Product distribution; Kinetics; effect of pH, temperature and reactant concentration;

DOI:10.1021/jf950421d

Reference yield: 50.0%

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) + 1,1'-ethylidenebis (132685-02-0) → 1,1'-Ethylidenebis(N-2,4-dinitrophenyl-L-tryptophan)

Guidance literature:

With sodium hydrogencarbonate; In water; acetonitrile; for 3h;

DOI:10.1016/S0040-4039(00)74469-8

upstream raw materials:

acetaldehyde

L-Tryptophan

Downstream raw materials:

L-Tryptophan

(1S,3S)-1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid

(-)-(1S,3S)-1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid

Refernces

• 1、 Fu, Tong-Jen. "Kinetics of the formation and decomposition of 1,1′-ethylidenebis[L-tryptophan], an eosinophilia myalgia syndrome-associated compound". . p. 1224 - 1229. Retrieved 1996.